Redox potentials of aryl derivatives from hybrid functional based first principles molecular dynamics

Liu, Xiandong; Cheng, Jun; Lu, Xiancai; He, Mengjia; Wang, Rucheng

Redox potentials of aryl derivatives from hybrid functional based first principles molecular dynamics

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Redox_potentials_of_aryl_derivatives_from_hybrid.pdf (2.01 MB)

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2016-06-01

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Liu, X, Cheng, J, Lu, X, He, M & Wang, R 2016, 'Redox potentials of aryl derivatives from hybrid functional based first principles molecular dynamics', Physical Chemistry Chemical Physics, vol. 18, no. 22, pp. 14911-14917. https://doi.org/10.1039/c6cp01375a